CAS Number: 56578-35-9
SMILES : Cc1ccc(cc1)C=CC=O
CHEM   : 
MOL FOR: C10 H10 O1 
MOL WT : 146.19
------------------------------ EPI SUMMARY (v4.11) --------------------------
 Physical Property Inputs:
    Log Kow (octanol-water):   ------
    Boiling Point (deg C)  :   ------
    Melting Point (deg C)  :   ------
    Vapor Pressure (mm Hg) :   ------
    Water Solubility (mg/L):   ------
    Henry LC (atm-m3/mole) :   ------
 
 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.68 estimate) =  2.37
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  244.89  (Adapted Stein & Brown method)
    Melting Pt (deg C):  17.25  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.0357  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  4.77  (Mean VP of Antoine & Grain methods)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  752.8
       log Kow used: 2.37 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1113.2 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       Vinyl/Allyl Aldehydes
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.77E-006  atm-m3/mole  (1.79E-001 Pa-m3/mole)
   Group Method:   3.62E-007  atm-m3/mole  (3.67E-002 Pa-m3/mole)
 For Henry LC Comparison Purposes:
   User-Entered Henry LC:  not entered
   Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]:
      HLC:  9.122E-006 atm-m3/mole  (9.243E-001 Pa-m3/mole)
      VP:   0.0357 mm Hg (source: MPBPVP)
      WS:   753 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.37  (KowWin est)
  Log Kaw used:  -4.140  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  6.510
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   1.0172
   Biowin2 (Non-Linear Model)     :   0.9998
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.8236  (weeks       )
   Biowin4 (Primary Survey Model) :   3.7649  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.7753
   Biowin6 (MITI Non-Linear Model):   0.8692
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.0581
 Ready Biodegradability Prediction:   YES
 
Hydrocarbon Biodegradation (BioHCwin v1.01):
    Structure incompatible with current estimation method!
 
 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  4.61 Pa (0.0346 mm Hg)
  Log Koa (Koawin est  ): 6.510
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  6.5E-007 
       Octanol/air (Koa) model:  7.94E-007 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  2.35E-005 
       Mackay model           :  5.2E-005 
       Octanol/air (Koa) model:  6.35E-005 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  40.9756 E-12 cm3/molecule-sec [Cis-isomer]
      OVERALL OH Rate Constant =  43.5596 E-12 cm3/molecule-sec [Trans-isomer]
      Half-Life =    3.132 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]
      Half-Life =    2.947 Hrs (12-hr day; 1.5E6 OH/cm3) [Trans-isomer]
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     0.168000 E-17 cm3/molecule-sec [Cis-]
      OVERALL Ozone Rate Constant =     0.336000 E-17 cm3/molecule-sec [Trans-]
      Half-Life =     6.821 Days (at 7E11 mol/cm3) [Cis-isomer]
      Half-Life =     3.411 Days (at 7E11 mol/cm3) [Trans-isomer]
   Fraction sorbed to airborne particulates (phi):
      3.78E-005 (Junge-Pankow, Mackay avg)
      6.35E-005 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  59.08  L/kg (MCI method)
      Log Koc:  1.771       (MCI method)
      Koc    :  101.6  L/kg (Kow method)
      Log Koc:  2.007       (Kow method)
 
 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
    Rate constants can NOT be estimated for this structure!
 
 Bioaccumulation Estimates (BCFBAF v3.01):
   Log BCF from regression-based method = 1.228 (BCF = 16.89 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.0121 days (HL = 0.9725 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.375 (BCF = 23.73)
   Log BAF Arnot-Gobas method (upper trophic) = 1.375 (BAF = 23.73)
       log Kow used: 2.37 (estimated)
 
 Volatilization from Water:
    Henry LC:  3.62E-007 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:       1957  hours   (81.53 days)
    Half-Life from Model Lake : 2.145E+004  hours   (893.7 days)
 
 Removal In Wastewater Treatment:
    Total removal:               2.80  percent
    Total biodegradation:        0.10  percent
    Total sludge adsorption:     2.68  percent
    Total to Air:                0.02  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.583           6.03         1000       
   Water     29.4            360          1000       
   Soil      69.9            720          1000       
   Sediment  0.125           3.24e+003    0          
     Persistence Time: 442 hr